Glycoside
GD014024
Name:
NoneFormula:
C56H32O10N4F18S2Smiles:
OC[C@@H]1O[C@H](Sc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(S[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c(F)c5F)c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)[C@H](O)[C@H](O)[C@H]1OAglycone:
Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(S)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(S)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 11 |
| HBD: | 10 | FractionCSP3: | 0.21 |
| AlogP: | 9.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 1326.99 | Num_heavy_atoms: | 90 |
| TPSA: | 237.66 | NumAromaticRings: | 7 |
Unique Aglycone
AD10386
Formula: C44H12N4F18S2
Smiles:
Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(S)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(S)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F| HBA: | 4 | RingCount: | 9 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 14.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 1002.71 | Num_heavy_atoms: | 68 |
| TPSA: | 57.36 | NumAromaticRings: | 7 |
